2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one

C18H14O3 — CID 67809025

IUPAC2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one
SMILESO=C1C=C(c2ccc(/C=C\c3ccccc3)cc2)C(O)O1
InChIInChI=1S/C18H14O3/c19-17-12-16(18(20)21-17)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12,18,20H/b7-6-
InChIKeyGJNZLCWGWGPKPO-SREVYHEPSA-N
MW278.31 g/mol
LogP3.12
Rot. Bonds3

About 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one

2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one (PubChem CID 67809025) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one
PubChem CID67809025
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one
SMILESO=C1C=C(c2ccc(/C=C\c3ccccc3)cc2)C(O)O1
InChIInChI=1S/C18H14O3/c19-17-12-16(18(20)21-17)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12,18,20H/b7-6-
InChIKeyGJNZLCWGWGPKPO-SREVYHEPSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-3-phenyl-2H-furan-5-one
CID 163035429
CID 159368352
CID 159368352
CID 70567885
CID 70567885
CID 70569152
CID 70569152
acetic acid;stilbene
CID 172803728
stilbene;sulfuric acid
CID 67612140
2-[(E)-2-phenylethenyl]azulene
CID 12674002
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one (CID 67809025) is 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one is O=C1C=C(c2ccc(/C=C\c3ccccc3)cc2)C(O)O1.
What is the InChIKey of 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one?
The InChIKey is GJNZLCWGWGPKPO-SREVYHEPSA-N. The full InChI is InChI=1S/C18H14O3/c19-17-12-16(18(20)21-17)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12,18,20H/b7-6-.
What are the key properties of 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one?
2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one has a molecular weight of 278.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[4-[(Z)-2-phenylethenyl]phenyl]-2H-furan-5-one is sourced from PubChem (CID 67809025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).